4-[2-(3-bromanylphenoxy)ethylcarbamothioylamino]benzamide

Systemtic Name: 4-[2-(3-bromanylphenoxy)ethylcarbamothioylamino]benzamide Openeye Name: 4-[2-(3-bromophenoxy)ethylcarbamothioylamino]benzamide CAS Name: 4-[[[2-(3-bromophenoxy)ethylamino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[2-(3-bromophenoxy)ethylcarbamothioylamino]benzamide Traditional Name: 4-[2-(3-bromophenoxy)ethylthiocarbamoylamino]benzamide Formula: C16H16BrN3O2S MolecularWeight: 394.28614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCNC(=S)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCNC(=S)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C16H16BrN3O2S/c17-12-2-1-3-14(10-12)22-9-8-19-16(23)20-13-6-4-11(5-7-13)15(18)21/h1-7,10H,8-9H2,(H2,18,21)(H2,19,20,23)